Computational identification of promising thermoelectric materials among known quasi-2D binary compounds

2016 ◽  
Vol 4 (28) ◽  
pp. 11110-11116 ◽  
Author(s):  
Prashun Gorai ◽  
Eric S. Toberer ◽  
Vladan Stevanović
Keyword(s):  
Thermoelectric Materials ◽  
Thermoelectric Performance ◽  
Computational Identification ◽  
Low Dimensional ◽  
Binary Compounds ◽  
Thermal Conductivities

Quasi low-dimensional structures are abundant among known thermoelectric materials, primarily because of their low lattice thermal conductivities. In this work, 427 known binary quasi-2D structures in 272 different chemistries are assessed for their thermoelectric performance and candidate thermoelectrics are proposed.

scholarly journals Metal phosphides as potential thermoelectric materials

2017 ◽  
Vol 5 (47) ◽  
pp. 12441-12456 ◽  
Author(s):  
Jan-Hendrik Pöhls ◽  
Alireza Faghaninia ◽  
Guido Petretto ◽  
Umut Aydemir ◽  
Francesco Ricci ◽  
...  
Keyword(s):  
Thermoelectric Materials ◽  
Thermoelectric Performance ◽  
Band Structures ◽  
Electronic Band ◽  
Metal Phosphides ◽  
Electronic Band Structures ◽  
Thermal Conductivities

Metal phosphides are predicted to have high thermoelectric performance due to enhanced electronic band structures and low thermal conductivities.

Thermoelectric Modeling of Si-Si1−xGex Ordered Nanowire Composites

2005 ◽  
Vol 886 ◽  
Author(s):  
Ming Y. Tang ◽  
Mildred S. Dresselhaus ◽  
Ronggui Yang ◽  
Gang Chen
Keyword(s):  
Thermoelectric Materials ◽  
Model Systems ◽  
Thermoelectric Performance ◽  
Core Shell ◽  
Host Matrix ◽  
Electronic Density ◽  
Quantum Confinement Effects ◽  
Interface Scattering ◽  
Low Dimensional ◽  
Shell Nanowires

ABSTRACTThermoelectrics have always been attractive for power generation and cooling because of power reliability and environmentally friendly issues. However, this concept remains non-competitive due to the limitation in the efficiency of available thermoelectric materials and device designs [1]. In the 1990s, Hicks and Dresselhaus predicted the possibility of a dramatic enhancement in thermoelectric performance based on the special behavior of low dimensional materials [2, 3]. This enhancement is in part due to the increase in quantum confinement effects, the increase in electronic density of states at specified energies, and the increase in the phonon interface scattering for low dimensional structures.Nanowires and core-shell nanowires can be considered to be model systems to illustrate representative behavior in low dimensional thermoelectric materials. It is expected that a system made out of nanowires or core-shell nanowires would have a higher thermoelectric performance than its bulk counterpart due to an increase in the number of interfaces. The interfaces that are introduced must be such that phonons are scattered more strongly than are electrons. Theoretical studies have been carried out to better understand the transport properties of Si-Si1−xGex ordered nanowire composites. The composite is modeled as having Si wires embedded in a Si1−xGex host matrix. Thus, core-shell Si/Si1−xGex nanowires can be considered as a building block of the composite. The effect of the wire diameter and the shell alloy composition on ZT is presented.

Enhancing the thermoelectric performance of Sn0.5Ge0.5Te via doping with Sb/Bi and alloying with Cu2Te: Optimization of transport properties and thermal conductivities

2020 ◽  
Vol 49 (18) ◽  
pp. 6135-6144
Author(s):  
Shaochang Song ◽  
Chun-Wan Timothy Lo ◽  
Masoud Aminzare ◽  
Yu-Chih Tseng ◽  
Suneesh Meledath Valiyaveettil ◽  
...  
Keyword(s):  
Transport Properties ◽  
Thermoelectric Properties ◽  
Thermoelectric Materials ◽  
Thermoelectric Performance ◽  
Thermal Conductivities

SnTe-based thermoelectric materials are studied as potential substitutes for PbTe. Ge and Bi substitutions combined with the Cu2Te alloying can significantly improve thermoelectric properties of SnTe as shown for (Sn0.5Ge0.5)0.91Bi0.06Te(Cu2Te)0.05.

Intrinsic lamellar defects containing atomic Cu in Cu2X (X=S, Se) thermoelectric materials

2021 ◽  
Author(s):  
Yuyu Wei ◽  
Ping Lu ◽  
Chenxi Zhu ◽  
Kunpeng Zhao ◽  
Xiaoyue Lu ◽  
...  
Keyword(s):  
Solid Solutions ◽  
Thermoelectric Materials ◽  
Thermoelectric Performance ◽  
Copper Metal ◽  
Bulk Surface ◽  
Binary Compounds ◽  
Poor Stability

As liquid-like materials, Cu2X (X=S, Se) binary compounds and their solid solutions possess excellent thermoelectric performance but poor stability. Precipitation of copper metal onto the bulk surface under electric or...

Effects of Nb doping on thermoelectric properties of Zn4Sb3 at high temperatures

2009 ◽  
Vol 24 (2) ◽  
pp. 430-435 ◽  
Author(s):  
D. Li ◽  
H.H. Hng ◽  
J. Ma ◽  
X.Y. Qin
Keyword(s):  
Thermal Conductivity ◽  
Electrical Resistivity ◽  
High Temperatures ◽  
Thermoelectric Properties ◽  
Figure Of Merit ◽  
Thermoelectric Performance ◽  
Temperature Range ◽  
A Value ◽  
Nb Doping ◽  
Thermal Conductivities

The thermoelectric properties of Nb-doped Zn4Sb3 compounds, (Zn1–xNbx)4Sb3 (x = 0, 0.005, and 0.01), were investigated at temperatures ranging from 300 to 685 K. The results showed that by substituting Zn with Nb, the thermal conductivities of all the Nb-doped compounds were lower than that of the pristine β-Zn4Sb3. Among the compounds studied, the lightly substituted (Zn0.995Nb0.005)4Sb3 compound exhibited the best thermoelectric performance due to the improvement in both its electrical resistivity and thermal conductivity. Its figure of merit, ZT, was greater than the undoped Zn4Sb3 compound for the temperature range investigated. In particular, the ZT of (Zn0.995Nb0.005)4Sb3 reached a value of 1.1 at 680 K, which was 69% greater than that of the undoped Zn4Sb3 obtained in this study.

scholarly journals Substitution Versus Full-Heusler Segregation in TiCoSb

Metals ◽  
2018 ◽  
Vol 8 (11) ◽  
pp. 935 ◽  
Author(s):  
Maryana Asaad ◽  
Jim Buckman ◽  
Jan-Willem Bos
Keyword(s):  
Powder Metallurgy ◽  
Power Factor ◽  
Thermoelectric Materials ◽  
Room Temperature ◽  
The Difference ◽  
P Type ◽  
Full Heusler ◽  
Thermal Conductivities

Half-Heuslers (HHs) are promising thermoelectric materials with great compositional flexibility. Here, we extend work on the p-type doping of TiCoSb using abundant elements. Ti0.7V0.3Co0.85Fe0.15Sb0.7Sn0.3 samples with nominal 17.85 p-type electron count were investigated. Samples prepared using powder metallurgy have negative Seebeck values, S ≤ −120 µV K−1, while arc-melted compositions are compensated semiconductors with S = −45 to +30 µV K−1. The difference in thermoelectric response is caused by variations in the degree of segregation of V(Co0.6Fe0.4)2Sn full-Heusler and Sn phases, which selectively absorb V, Fe, and Sn. The segregated microstructure leads to reduced lattice thermal conductivities, κlat = 4.5−7 W m−1 K−1 near room temperature. The largest power factor, S2/ρ = 0.4 mW m−1 K−2 and ZT = 0.06, is observed for the n-type samples at 800 K. This works extends knowledge regarding suitable p-type dopants for TiCoSb.

Designing high-performance n-type Mg3Sb2-based thermoelectric materials through forming solid solutions and biaxial strain

2018 ◽  
Vol 6 (41) ◽  
pp. 20454-20462 ◽  
Author(s):  
Juan Li ◽  
Shuai Zhang ◽  
Boyi Wang ◽  
Shichao Liu ◽  
Luo Yue ◽  
...  
Keyword(s):  
Solid Solutions ◽  
Thermoelectric Materials ◽  
High Performance ◽  
Thermoelectric Performance ◽  
Biaxial Strain

Thermoelectric performance can be largely enhanced by forming solid solutions and biaxial strain.

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